SCHEMBL14629569

SCHEMBL14629569

C=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1)NO

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.76
▸ HDAC4 P56524 7/20 0.56
▸ HDAC8 Q9BY41 6/20 0.56
▸ CA1 P00915 6/20 0.56
▸ CA2 P00918 6/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ CA12 O43570 3/20 0.56
▸ HDAC3 O15379 4/20 0.56
▸ HDAC7 Q8WUI4 4/20 0.56
▸ HDAC2 Q92769 4/20 0.56
▸ HDAC10 Q969S8 4/20 0.56
▸ HDAC11 Q96DB2 4/20 0.56
▸ HDAC6 Q9UBN7 4/20 0.56
▸ HDAC9 Q9UKV0 4/20 0.56
▸ HDAC5 Q9UQL6 4/20 0.56
▸ HTT P42858 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14629583 0.86 HDAC1 (0.76) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020621 0.86 HDAC1 (1.00) HDAC1HDAC4HDAC8CA1CA2
SCHEMBL5020756 0.83 HDAC1 (0.76) HDAC1HDAC4HDAC8CA1CA2
SCHEMBL14629692 0.76 HDAC1 (0.54) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL13762601 0.75 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1403350 0.73 HDAC1 (0.64) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1403496 0.73 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1403493 0.73 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1403349 0.73 HDAC1 (0.64) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1403589 0.72 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 — — EP disclosed
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